3-(aminomethyl)cyclopentan-1-ol

• ChemBase ID: 241281
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1C(CCC1CN)O
• Canonical SMILES: NCC1CCC(C1)O
• InChI: InChI=1S/C6H13NO/c7-4-5-1-2-6(8)3-5/h5-6,8H,1-4,7H2
• InChIKey: NUBNZASXRSXFRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(aminomethyl)cyclopentan-1-ol
• IUPAC Traditional name: 3-(aminomethyl)cyclopentan-1-ol
• Synonyms: 3-(aminomethyl)cyclopentan-1-ol

Database IDs

• MDL Number: MFCD17169821
• PubChem SID: 164297191
• PubChem CID: 14130438

CALCULATED PROPERTIES

• Acid pKa: 15.250312
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3580265
• LogD (pH = 7.4): -2.7455065
• Log P: -0.34246278
• Molar Refractivity: 32.7323 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.66

Product Information

• Purity: 95%